1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine

C16H24ClN — CID 114146431

IUPAC1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CCCC(Cl)C2)cc1
InChIInChI=1S/C16H24ClN/c1-2-13-6-8-14(9-7-13)11-18-12-15-4-3-5-16(17)10-15/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyNOHVZDRTPZBSBU-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.14
Rot. Bonds5

About 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine

1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine (PubChem CID 114146431) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
PubChem CID114146431
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CCCC(Cl)C2)cc1
InChIInChI=1S/C16H24ClN/c1-2-13-6-8-14(9-7-13)11-18-12-15-4-3-5-16(17)10-15/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyNOHVZDRTPZBSBU-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-chlorocyclohexyl)methylamino]methyl]phenol
CID 106122675
1-(3-chlorocyclohexyl)-N-[(3-chloro-4-fluorophenyl)methyl]methanamine
CID 106122774
1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
CID 114146428
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
N-[(4-heptylphenyl)methyl]-1-[3-[[(4-heptylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560696
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 115207473
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine (CID 114146431) is 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine is CCc1ccc(CNCC2CCCC(Cl)C2)cc1.
What is the InChIKey of 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine?
The InChIKey is NOHVZDRTPZBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-13-6-8-14(9-7-13)11-18-12-15-4-3-5-16(17)10-15/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine?
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine has a molecular weight of 265.83 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 114146431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).